1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione

C24H24N4O3 — CID 24995388

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C24H24N4O3/c1-17-16-27(23(30)20-6-4-3-5-7-20)14-15-28(17)24(31)22(29)19-10-8-18(9-11-19)21-12-13-26(2)25-21/h3-13,17H,14-16H2,1-2H3/t17-/m1/s1
InChIKeyQXNUVCCZEUHYPY-QGZVFWFLSA-N
MW416.48 g/mol
LogP2.64
Rot. Bonds4

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione (PubChem CID 24995388) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione
PubChem CID24995388
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C24H24N4O3/c1-17-16-27(23(30)20-6-4-3-5-7-20)14-15-28(17)24(31)22(29)19-10-8-18(9-11-19)21-12-13-26(2)25-21/h3-13,17H,14-16H2,1-2H3/t17-/m1/s1
InChIKeyQXNUVCCZEUHYPY-QGZVFWFLSA-N
XLogP2.64
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione (CID 24995388) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione is C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn(C)n2)cc1.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione?
The InChIKey is QXNUVCCZEUHYPY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-17-16-27(23(30)20-6-4-3-5-7-20)14-15-28(17)24(31)22(29)19-10-8-18(9-11-19)21-12-13-26(2)25-21/h3-13,17H,14-16H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione has a molecular weight of 416.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione is sourced from PubChem (CID 24995388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).